4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole

C31H34FN7O2S — CID 66855951

IUPAC4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole
SMILESCc1nn2ccc(OCCN3CCCCC3)cc2c1-c1nc(-c2ccccc2F)c(-c2ncn(C3CCCCO3)n2)s1
InChIInChI=1S/C31H34FN7O2S/c1-21-27(25-19-22(12-15-38(25)35-21)40-18-16-37-13-6-2-7-14-37)31-34-28(23-9-3-4-10-24(23)32)29(42-31)30-33-20-39(36-30)26-11-5-8-17-41-26/h3-4,9-10,12,15,19-20,26H,2,5-8,11,13-14,16-18H2,1H3
InChIKeyMTFGRCUTDLIFQU-UHFFFAOYSA-N
MW587.73 g/mol
LogP6.39
Rot. Bonds8

About 4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole

4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole (PubChem CID 66855951) has the molecular formula C31H34FN7O2S and a molecular weight of 587.73 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole
PubChem CID66855951
Molecular FormulaC31H34FN7O2S
Molecular Weight587.73 g/mol
Exact Mass587.25
IUPAC Name4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole
SMILESCc1nn2ccc(OCCN3CCCCC3)cc2c1-c1nc(-c2ccccc2F)c(-c2ncn(C3CCCCO3)n2)s1
InChIInChI=1S/C31H34FN7O2S/c1-21-27(25-19-22(12-15-38(25)35-21)40-18-16-37-13-6-2-7-14-37)31-34-28(23-9-3-4-10-24(23)32)29(42-31)30-33-20-39(36-30)26-11-5-8-17-41-26/h3-4,9-10,12,15,19-20,26H,2,5-8,11,13-14,16-18H2,1H3
InChIKeyMTFGRCUTDLIFQU-UHFFFAOYSA-N
XLogP6.39
TPSA82.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.73
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole?
The IUPAC name of 4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole (CID 66855951) is 4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole?
The canonical SMILES for 4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole is Cc1nn2ccc(OCCN3CCCCC3)cc2c1-c1nc(-c2ccccc2F)c(-c2ncn(C3CCCCO3)n2)s1.
What is the InChIKey of 4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole?
The InChIKey is MTFGRCUTDLIFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34FN7O2S/c1-21-27(25-19-22(12-15-38(25)35-21)40-18-16-37-13-6-2-7-14-37)31-34-28(23-9-3-4-10-24(23)32)29(42-31)30-33-20-39(36-30)26-11-5-8-17-41-26/h3-4,9-10,12,15,19-20,26H,2,5-8,11,13-14,16-18H2,1H3.
What are the key properties of 4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole?
4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole has a molecular weight of 587.73 g/mol, XLogP of 6.39, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-[2-methyl-5-(2-piperidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]-5-[1-(oxan-2-yl)-1,2,4-triazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 66855951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).